Information card for entry 4109950

Structure parameters

• Formula: C33 H56 O3 Si4 W
• Calculated formula: C33 H56 O3 Si4 W
• SMILES: [O]#C[W]123456(C#[O])(C(O[SiH2]C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)[CH]1=[CH]2c1ccccc1)[c]1([c]3([c]4([c]5([c]61CC)C)C)C)C
• Title of publication: Reactions of Hydrido(hydrosilylene)tungsten Complexes with α,β-Unsaturated Carbonyl Compounds: Selective Formation of (η3-Siloxyallyl)tungsten Complexes
• Authors of publication: Takahito Watanabe; Hisako Hashimoto; Hiromi Tobita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11338 - 11339
• a: 8.2146 ± 0.0004 Å
• b: 31.6002 ± 0.0011 Å
• c: 14.2624 ± 0.0003 Å
• α: 90°
• β: 89.5622 ± 0.0018°
• γ: 90°
• Cell volume: 3702.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No